SCHEMBL6276471

SCHEMBL6276471

O=CCc1cccc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.53
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
TAAR1 Q96RJ0 2/20 0.42
CNR1 P21554 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
MAOB P27338 2/20 0.39
AOC3 Q16853 2/20 0.38
DAGLA Q9Y4D2 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPN1 P18031 1/20 0.36
DUSP3 P51452 1/20 0.36
CNR2 P34972 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
PGR P06401 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2586836 0.84 AGXT (0.45) CHKAAOC3PTGS2
SCHEMBL1420024 0.80 AGXT (0.52) TAAR1AOC3PTGS2
SCHEMBL6477595 0.79 CHKA (0.57) CHKARXRARXRBTAAR1CNR1
SCHEMBL19043341 0.79 CHKA (0.50) CHKARXRARXRBTAAR1CNR1
SCHEMBL167780 0.78 PNMT (0.56) TAAR1AOC3
SCHEMBL19287148 0.78 TAAR1 (0.65) TAAR1MAOBPGR
SCHEMBL410767 0.77 PRKCI (0.56) CHKARXRARXRBTAAR1CNR1
SCHEMBL4194656 0.76 MAPK14 (0.40)
SCHEMBL1513827 0.76 HSD17B1 (0.54)
SCHEMBL4207990 0.75 NR1H4 (0.60) CHKARXRARXRBCNR1NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO disclosed